4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide

C14H13ClN2S2 — CID 63083216

IUPAC4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide
SMILESNC(=S)c1ccc(Cl)cc1N1CCc2sccc2C1
InChIInChI=1S/C14H13ClN2S2/c15-10-1-2-11(14(16)18)12(7-10)17-5-3-13-9(8-17)4-6-19-13/h1-2,4,6-7H,3,5,8H2,(H2,16,18)
InChIKeyWRIGPJRLUMQMAD-UHFFFAOYSA-N
MW308.86 g/mol
LogP3.60
Rot. Bonds2

About 4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide

4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide (PubChem CID 63083216) has the molecular formula C14H13ClN2S2 and a molecular weight of 308.86 g/mol. Its IUPAC name is 4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide.

Molecular Properties

Compound Name4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide
PubChem CID63083216
Molecular FormulaC14H13ClN2S2
Molecular Weight308.86 g/mol
Exact Mass308.02
IUPAC Name4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide
SMILESNC(=S)c1ccc(Cl)cc1N1CCc2sccc2C1
InChIInChI=1S/C14H13ClN2S2/c15-10-1-2-11(14(16)18)12(7-10)17-5-3-13-9(8-17)4-6-19-13/h1-2,4,6-7H,3,5,8H2,(H2,16,18)
InChIKeyWRIGPJRLUMQMAD-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide?
The IUPAC name of 4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide (CID 63083216) is 4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide.
What is the SMILES notation for 4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide?
The canonical SMILES for 4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide is NC(=S)c1ccc(Cl)cc1N1CCc2sccc2C1.
What is the InChIKey of 4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide?
The InChIKey is WRIGPJRLUMQMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2S2/c15-10-1-2-11(14(16)18)12(7-10)17-5-3-13-9(8-17)4-6-19-13/h1-2,4,6-7H,3,5,8H2,(H2,16,18).
What are the key properties of 4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide?
4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide has a molecular weight of 308.86 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide is sourced from PubChem (CID 63083216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).